methyl 4-[[(4-chlorophenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[(4-chlorophenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[(4-chlorobenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chlorobenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[(4-chlorobenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H14ClN3O4S/c1-25-16(24)12-4-2-10(3-5-12)14(22)19-17(26)21-20-15(23)11-6-8-13(18)9-7-11/h2-9H,1H3,(H,20,23)(H2,19,21,22,26)